Information card for entry 4348994

Structure parameters

• Formula: C37 H49 F6 N5 O2 P2 Ru
• Calculated formula: C37 H49 F6 N5 O2 P2 Ru
• SMILES: c1ccccc1n1c2c(C(C34CC5CC(C3)CC(C4)C5)=[O][Ru]34567([c]8([cH]7[cH]6[c]5([cH]4[cH]38)C)C(C)C)(O2)[P]23CN4CN(C2)CN(C3)C4)c(n1)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis, Structure, and Anticancer Activity of Arene-Ruthenium(II) Complexes with Acylpyrazolones Bearing Aliphatic Groups in the Acyl Moiety.
• Authors of publication: Palmucci, Jessica; Marchetti, Fabio; Pettinari, Riccardo; Pettinari, Claudio; Scopelliti, Rosario; Riedel, Tina; Therrien, Bruno; Galindo, Agustin; Dyson, Paul J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 22
• Pages of publication: 11770 - 11781
• a: 11.2962 ± 0.0017 Å
• b: 13.897 ± 0.003 Å
• c: 13.952 ± 0.004 Å
• α: 90.99 ± 0.02°
• β: 107.747 ± 0.018°
• γ: 109.882 ± 0.014°
• Cell volume: 1943.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2552
• Residual factor for significantly intense reflections: 0.0866
• Weighted residual factors for significantly intense reflections: 0.1376
• Weighted residual factors for all reflections included in the refinement: 0.1935
• Goodness-of-fit parameter for all reflections included in the refinement: 0.778
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No